Publikationen von S. N. Yurchenko

Yachmenev, A.; Yurchenko, S. N.; Jensen, P.; Thiel, W.: A new "spectroscopic" potential energy surface for formaldehyde in its ground electronic state. Journal of Chemical Physics 134, 244307 (2011)

Yachmenev, A.; Yurchenko, S. N.; Ribeyre, T.; Thiel, W.: High-level ab initio potential energy surfaces and vibrational energies of H(2)CS. Journal of Chemical Physics 135, 074302 (2011)

Yurchenko, S. N.; Barber, R. J.; Tennyson, J.; Thiel, W.; Jensen, P.: Towards efficient refinement of molecular potential energy surfaces: Ammonia as a case study. Journal of Molecular Spectroscopy 268, S. 123 - 129 (2011)

Yachmenev, A.; Yurchenko, S. N.; Jensen, P.; Baum, O.; Giesen, T. F.; Thiel, W.: Theoretical rotation-torsion spectra of HSOH. Physical Chemistry Chemical Physics 12, S. 8387 - 8397 (2010)

Yachmenev, A.; Yurchenko, S. N.; Paidarová, I.; Jensen, P.; Thiel, W.; Sauer, S. P. A.: Thermal averaging of the indirect nuclear spin-spin coupling constants of ammonia: The importance of the large amplitude inversion mode. Journal of Chemical Physics 132, 114305, S. 114305-1 - 114305-15 (2010)

Yurchenko, S. N.; Carvajal, M.; Yachmenev, A.; Thiel, W.; Jensen, P.: A theoretical-spectroscopy, ab initio-based study of the electronic ground state of ¹²¹SbH₃. Journal of Quantitative Spectroscopy & Radiative Transfer 111, S. 2279 - 2290 (2010)

Yurchenko, S. N.; Barber, R. J.; Yachmenev, A.; Thiel, W.; Jensen, P.; Tennyson, J.: A Variationally Computed T = 300 K Line List for NH₃. Journal of Physical Chemistry A 113, S. 11845 - 11855 (2009)

Yurchenko, S. N.; Ovsyannikov, R. I.; Thiel, W.; Jensen, P.: Rotation-vibration energy cluster formation in XH₂D and XHD₂ molecules (X = Bi, P, and Sb). Journal of Molecular Spectroscopy 256, S. 119 - 127 (2009)

Yurchenko, S. N.; Yachmenev, A.; Thiel, W.; Baum, O.; Giesen, T. F.; Melnikov, V. V.; Jensen, P.: An Ab Initio Calculation of the Vibrational Energies and Transition Moments of HSOH. Journal of Molecular Spectroscopy 257, S. 57 - 65 (2009)

Ovsyannikov, R. I.; Melnikov, V. V.; Thiel, W.; Jensen, P.; Baum, O.; Giesen, T. F.; Yurchenko, S. N.: Theoretical rotation-torsion energies of HSOH. Journal of Chemical Physics 129, 154314 (2008)

Ovsyannikov, R. I.; Thiel, W.; Yurchenko, S. N.; Carvajal, M.; Jensen, P.: PH₃ revisited: Theoretical transition moments for the vibrational transitions below 7000 cm⁻¹. Journal of Molecular Spectroscopy 252, S. 121 - 128 (2008)

Ovsyannikov, R. I.; Thiel, W.; Yurchenko, S. N.; Carvajal, M.; Jensen, P.: Vibrational energies of PH₃ calculated variationally at the complete basis set limit. Journal of Chemical Physics 129, 044309 (2008)

Yurchenko, S. N.; Thiel, W.; Carvajal, M.; Jensen, P.: Ab initio potential energy surface, electric-dipole moment, polarizability tensor, and theoretical rovibrational spectra in the electronic ground state of ¹⁴NH₃⁺. Chemical Physics 346, S. 146 - 159 (2008)

Yurchenko, S. N.; Voronin, B. A.; Tolchenov, R. N.; Doss, N.; Naumenko, O. V.; Thiel, W.; Tennyson, J.: Potential energy surface of HDO up to 25 000 cm⁻¹. Journal of Chemical Physics 128, 044312 (2008)

Alekseyev, A. B.; Liebermann, H.-P.; Buenker, R. J.; Yurchenko, S. N.: An ab initio study of the CH₃I photodissociation. I. Potential energy surfaces. Journal of Chemical Physics 126, 234102 (2007)

Bunker, P. R.; Kraemer, W. P.; Yurchenko, S. N.; Thiel, W.; Neese, C. F.; Gottfried, J. L.; Jensen, P.: New potential energy surfaces for the (X)over-tilde and (A)over-tilde states of CH₂⁺. Molecular Physics 105, S. 1369 - 1376 (2007)

Yurchenko, S. N.; Thiel, W.; Jensen, P.: Theoretical ROVibrational Energies (TROVE): A robust numerical approach to the calculation of rovibrational energies for polyatomic molecules. Journal of Molecular Spectroscopy 245, S. 126 - 140 (2007)

Bunker, P. R.; Guérout, R.; Jakubek, Z. J.; Jensen, P.; Yurchenko, S. N.: The rovibronic energies of the SiNSi radical in its (X)over-tilde²Π_g electronic state. Journal of Molecular Structure 795, S. 9 - 13 (2006)

Jakubek, Z. J.; Bunker, P. R.; Zachwieja, M.; Nakhate, S. G.; Simard, B.; Yurchenko, S. N.; Thiel, W.; Jensen, P.: A dispersed fluorescence and ab initio investigation of the (X)over-tilde²B₁ and òA₁ electronic states of the PH2 molecule. Journal of Chemical Physics 124, 094306 (2006)

Yurchenko, S. N.; Carvajal, M.; Thiel, W.; Jensen, P.: Ab initio dipole moment and theoretical rovibrational intensities in the electronic ground state of PH₃. Journal of Molecular Spectroscopy 239, S. 71 - 87 (2006)